(E)-1-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C22H17O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C22H17O2F |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc1ccccc1)c1cccc(F)c1 |
| InChI | InChI=1S/C22H17FO2/c23-20-8-4-7-19(15-20)22(24)14-11-17-9-12-21(13-10-17)25-16-18-5-2-1-3-6-18/h1-15H,16H2 |
| InChIK | PYMUSXAHUXOKGH-UHFFFAOYSA-N |
| TotalMolweight | 332.373 |
| Molweight | 332.373 |
| MonoisotopicMass | 332.121258 |
| CLogP | 4.7527 |
| CLogS | -5.495 |
| H Acceptors | 2 |
| TotalSurfaceArea | 267.14 |
| Relative PSA | 0.086247 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.4775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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